TL;DR: Pfizer 105696 (CAS 158081-99-3) is a chemical compound with molecular formula C28H28O4 and molecular weight 428.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid
Also Known As: Pfizer 105696, CP-105,696, EX-A3634, CP 105696, Tox21_300468
| Molecular Formula | C28H28O4 |
| Molecular Weight | 428.19876 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19876 Da |
| Heavy Atoms | 32 |
| Complexity | 627.0 |
| SMILES | C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O |
| InChIKey | KMNLXCBYBKHKSK-BKMJKUGQSA-N |
The XLogP value of 5.5 indicates that Pfizer 105696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pfizer 105696. Following Lipinski's Rule of Five, Pfizer 105696 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pfizer 105696 is 158081-99-3.
The molecular formula of Pfizer 105696 is C28H28O4.
The molecular weight of Pfizer 105696 is 428.19876 g/mol.
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